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	hartrees
Energy at 0K	-213.391453
Energy at 298.15K
HF Energy	-212.396136
Nuclear repulsion energy	188.728762

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.517	1.215
C3	0.017	0.517	-1.215
C4	0.017	-0.368	2.451
C5	0.017	-0.368	-2.451
H6	-0.800	-0.889	0.000
H7	-0.836	1.213	1.252
H8	0.922	1.132	1.202
H9	-0.836	1.213	-1.252
H10	0.922	1.132	-1.202
H11	0.033	0.235	3.361
H12	-0.878	-0.994	2.481
H13	0.889	-1.024	2.449
H14	0.033	0.235	-3.361
H15	-0.878	-0.994	-2.481
H16	0.889	-1.024	-2.449

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4579	1.4579	2.4526	2.4526	1.0141	2.1331	2.0686	2.1331	2.0686	3.4011	2.7306	2.7010	3.4011	2.7306	2.7010
C2	1.4579		2.4299	1.5209	3.7717	2.0302	1.1016	1.0935	2.7013	2.6524	2.1642	2.1656	2.1578	4.5842	4.0924	4.0689
C3	1.4579	2.4299		3.7717	1.5209	2.0302	2.7013	2.6524	1.1016	1.0935	4.5842	4.0924	4.0689	2.1642	2.1656	2.1578
C4	2.4526	1.5209	3.7717		4.9027	2.6359	2.1606	2.1518	4.1161	4.0512	1.0911	1.0930	1.0903	5.8431	5.0521	5.0198
C5	2.4526	3.7717	1.5209	4.9027		2.6359	4.1161	4.0512	2.1606	2.1518	5.8431	5.0521	5.0198	1.0911	1.0930	1.0903
H6	1.0141	2.0302	2.0302	2.6359	2.6359		2.4470	2.9140	2.4470	2.9140	3.6401	2.4846	2.9774	3.6401	2.4846	2.9774
H7	2.1331	1.1016	2.7013	2.1606	4.1161	2.4470		1.7602	2.5036	3.0191	2.4819	2.5269	3.0676	4.7944	4.3369	4.6552
H8	2.0686	1.0935	2.6524	2.1518	4.0512	2.9140	1.7602		3.0191	2.4031	2.5011	3.0654	2.4906	4.7336	4.6176	4.2393
H9	2.1331	2.7013	1.1016	4.1161	2.1606	2.4470	2.5036	3.0191		1.7602	4.7944	4.3369	4.6552	2.4819	2.5269	3.0676
H10	2.0686	2.6524	1.0935	4.0512	2.1518	2.9140	3.0191	2.4031	1.7602		4.7336	4.6176	4.2393	2.5011	3.0654	2.4906
H11	3.4011	2.1642	4.5842	1.0911	5.8431	3.6401	2.4819	2.5011	4.7944	4.7336		1.7646	1.7741	6.7211	6.0388	6.0052
H12	2.7306	2.1656	4.0924	1.0930	5.0521	2.4846	2.5269	3.0654	4.3369	4.6176	1.7646		1.7674	6.0388	4.9624	5.2370
H13	2.7010	2.1578	4.0689	1.0903	5.0198	2.9774	3.0676	2.4906	4.6552	4.2393	1.7741	1.7674		6.0052	5.2370	4.8972
H14	3.4011	4.5842	2.1642	5.8431	1.0911	3.6401	4.7944	4.7336	2.4819	2.5011	6.7211	6.0388	6.0052		1.7646	1.7741
H15	2.7306	4.0924	2.1656	5.0521	1.0930	2.4846	4.3369	4.6176	2.5269	3.0654	6.0388	4.9624	5.2370	1.7646		1.7674
H16	2.7010	4.0689	2.1578	5.0198	1.0903	2.9774	4.6552	4.2393	3.0676	2.4906	6.0052	5.2370	4.8972	1.7741	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.830	N1	C2	H7	112.152
N1	C2	H8	107.482	N1	C3	C5	110.830
N1	C3	H9	112.152	N1	C3	H10	107.482
C2	N1	C3	112.887	C2	N1	H6	109.104
C2	C4	H11	110.830	C2	C4	H12	110.828
C2	C4	H13	110.369	C3	N1	H6	109.104
C3	C5	H14	110.830	C3	C5	H15	110.828
C3	C5	H16	110.369	C4	C2	H7	109.918
C4	C2	H8	109.704	C5	C3	H8	151.113
C5	C3	H10	109.704	H7	C2	H8	106.618
H9	C3	H10	106.618	H11	C4	H12	107.789
H11	C4	H13	108.831	H12	C4	H13	108.102
H14	C5	H15	107.789	H14	C5	H16	108.831
H15	C5	H16	108.102

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)